(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide

C33H59NO6Si4 — CID 10532549

IUPAC(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide
SMILESCON(C)C(=O)C[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C33H59NO6Si4/c1-33(2,3)44(27-21-17-15-18-22-27,28-23-19-16-20-24-28)37-26-30(39-42(9,10)11)32(40-43(12,13)14)29(38-41(6,7)8)25-31(35)34(4)36-5/h15-24,29-30,32H,25-26H2,1-14H3/t29-,30-,32+/m1/s1
InChIKeyCYDLYXNLPZEEHG-FUWNPBJGSA-N
MW678.18 g/mol
LogP6.63
Rot. Bonds16

About (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide

(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide (PubChem CID 10532549) has the molecular formula C33H59NO6Si4 and a molecular weight of 678.18 g/mol. Its IUPAC name is (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide.

Molecular Properties

Compound Name(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide
PubChem CID10532549
Molecular FormulaC33H59NO6Si4
Molecular Weight678.18 g/mol
Exact Mass677.34
IUPAC Name(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide
SMILESCON(C)C(=O)C[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C33H59NO6Si4/c1-33(2,3)44(27-21-17-15-18-22-27,28-23-19-16-20-24-28)37-26-30(39-42(9,10)11)32(40-43(12,13)14)29(38-41(6,7)8)25-31(35)34(4)36-5/h15-24,29-30,32H,25-26H2,1-14H3/t29-,30-,32+/m1/s1
InChIKeyCYDLYXNLPZEEHG-FUWNPBJGSA-N
XLogP6.63
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.18
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide?
The IUPAC name of (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide (CID 10532549) is (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide.
What is the SMILES notation for (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide?
The canonical SMILES for (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide is CON(C)C(=O)C[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide?
The InChIKey is CYDLYXNLPZEEHG-FUWNPBJGSA-N. The full InChI is InChI=1S/C33H59NO6Si4/c1-33(2,3)44(27-21-17-15-18-22-27,28-23-19-16-20-24-28)37-26-30(39-42(9,10)11)32(40-43(12,13)14)29(38-41(6,7)8)25-31(35)34(4)36-5/h15-24,29-30,32H,25-26H2,1-14H3/t29-,30-,32+/m1/s1.
What are the key properties of (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide?
(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide has a molecular weight of 678.18 g/mol, XLogP of 6.63, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide is sourced from PubChem (CID 10532549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).